[2-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl-propyl-amino]-2-methyl-propyl] benzoate

Systemtic Name: [2-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl-propyl-amino]-2-methyl-propyl] benzoate Openeye Name: [2-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl-propyl-amino]-2-methyl-propyl] benzoate CAS Name: benzoic acid [2-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl-propylamino]-2-methylpropyl] ester IUPAC Name: [2-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl-propylamino]-2-methylpropyl] benzoate Traditional Name: benzoic acid [2-[[5-cyano-6-(methylthio)-2-pyridyl]methyl-propyl-amino]-2-methyl-propyl] ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=C(C=C1)C#N)SC)C(C)(C)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN(CC1=NC(=C(C=C1)C#N)SC)C(C)(C)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S/c1-5-13-25(15-19-12-11-18(14-23)20(24-19)28-4)22(2,3)16-27-21(26)17-9-7-6-8-10-17/h6-12H,5,13,15-16H2,1-4H3